bis(4-dimethylaminophenyl)-[4-(pyridin-4-ylmethoxy)phenyl]sulfanium; 4-methylbenzenesulfonate

Systemtic Name: bis(4-dimethylaminophenyl)-[4-(pyridin-4-ylmethoxy)phenyl]sulfanium; 4-methylbenzenesulfonate Openeye Name: bis(4-dimethylaminophenyl)-[4-(4-pyridylmethoxy)phenyl]sulfonium; 4-methylbenzenesulfonate CAS Name: bis(4-dimethylaminophenyl)-[4-(pyridin-4-ylmethoxy)phenyl]sulfonium; 4-methylbenzenesulfonate IUPAC Name: bis(4-dimethylaminophenyl)-[4-(pyridin-4-ylmethoxy)phenyl]sulfanium; 4-methylbenzenesulfonate Traditional Name: bis(4-dimethylaminophenyl)-[4-(4-pyridylmethoxy)phenyl]sulfonium tosylate Formula: C35H37N3O4S2 MolecularWeight: 627.81598

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].CN(C)C1=CC=C(C=C1)[S+](C2=CC=C(C=C2)N(C)C)C3=CC=C(C=C3)OCC4=CC=NC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].CN(C)C1=CC=C(C=C1)[S+](C2=CC=C(C=C2)N(C)C)C3=CC=C(C=C3)OCC4=CC=NC=C4

InChI

InChI=1S/C28H30N3OS.C7H8O3S/c1-30(2)23-5-11-26(12-6-23)33(27-13-7-24(8-14-27)31(3)4)28-15-9-25(10-16-28)32-21-22-17-19-29-20-18-22;1-6-2-4-7(5-3-6)11(8,9)10/h5-20H,21H2,1-4H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1